4-(2-methylpropyl)-N-(1-oxothian-4-yl)benzenesulfonamide

C15H23NO3S2 — CID 75399114

IUPAC4-(2-methylpropyl)-N-(1-oxothian-4-yl)benzenesulfonamide
SMILESCC(C)Cc1ccc(S(=O)(=O)NC2CCS(=O)CC2)cc1
InChIInChI=1S/C15H23NO3S2/c1-12(2)11-13-3-5-15(6-4-13)21(18,19)16-14-7-9-20(17)10-8-14/h3-6,12,14,16H,7-11H2,1-2H3
InChIKeyCQAWMVWIOQWYFF-UHFFFAOYSA-N
MW329.49 g/mol
LogP2.07
Rot. Bonds5

About 4-(2-methylpropyl)-N-(1-oxothian-4-yl)benzenesulfonamide

4-(2-methylpropyl)-N-(1-oxothian-4-yl)benzenesulfonamide (PubChem CID 75399114) has the molecular formula C15H23NO3S2 and a molecular weight of 329.49 g/mol. Its IUPAC name is 4-(2-methylpropyl)-N-(1-oxothian-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-methylpropyl)-N-(1-oxothian-4-yl)benzenesulfonamide
PubChem CID75399114
Molecular FormulaC15H23NO3S2
Molecular Weight329.49 g/mol
Exact Mass329.11
IUPAC Name4-(2-methylpropyl)-N-(1-oxothian-4-yl)benzenesulfonamide
SMILESCC(C)Cc1ccc(S(=O)(=O)NC2CCS(=O)CC2)cc1
InChIInChI=1S/C15H23NO3S2/c1-12(2)11-13-3-5-15(6-4-13)21(18,19)16-14-7-9-20(17)10-8-14/h3-6,12,14,16H,7-11H2,1-2H3
InChIKeyCQAWMVWIOQWYFF-UHFFFAOYSA-N
XLogP2.07
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-4-(2-methylpropyl)benzenesulfonamide
CID 19681069
4-(2-methylpropyl)-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964495
4-(2-bromo-3,3-dimethylbutyl)-N-cyclopropylbenzenesulfonamide
CID 63203522
N-methyl-4-(2-methylpropyl)benzenesulfonamide
CID 19684296
4-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide
CID 19681167
6-oxo-N-(1-oxothian-4-yl)-1H-pyridine-3-sulfonamide
CID 113480438
4-(bromomethyl)-N-cyclopropylbenzenesulfonamide
CID 65482176
N-cyclopropyl-4-[(cyclopropylamino)methyl]benzenesulfonamide
CID 60822263
N-[(3S)-6-bromo-3,4-dihydro-2H-chromen-3-yl]-4-(2-methylpropyl)benzenesulfonamide
CID 95117238
N-[(2-methylpropan-2-yl)oxy]-4-(2-methylpropyl)benzenesulfonamide
CID 82723408
4-N-cyclopropyl-1-N-[2-(methylamino)propyl]benzene-1,4-disulfonamide
CID 120824790
N-[(1R)-1-cyanoethyl]-4-(2-methylpropyl)benzenesulfonamide
CID 97243583

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-N-(1-oxothian-4-yl)benzenesulfonamide?
The IUPAC name of 4-(2-methylpropyl)-N-(1-oxothian-4-yl)benzenesulfonamide (CID 75399114) is 4-(2-methylpropyl)-N-(1-oxothian-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-(2-methylpropyl)-N-(1-oxothian-4-yl)benzenesulfonamide?
The canonical SMILES for 4-(2-methylpropyl)-N-(1-oxothian-4-yl)benzenesulfonamide is CC(C)Cc1ccc(S(=O)(=O)NC2CCS(=O)CC2)cc1.
What is the InChIKey of 4-(2-methylpropyl)-N-(1-oxothian-4-yl)benzenesulfonamide?
The InChIKey is CQAWMVWIOQWYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S2/c1-12(2)11-13-3-5-15(6-4-13)21(18,19)16-14-7-9-20(17)10-8-14/h3-6,12,14,16H,7-11H2,1-2H3.
What are the key properties of 4-(2-methylpropyl)-N-(1-oxothian-4-yl)benzenesulfonamide?
4-(2-methylpropyl)-N-(1-oxothian-4-yl)benzenesulfonamide has a molecular weight of 329.49 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-N-(1-oxothian-4-yl)benzenesulfonamide is sourced from PubChem (CID 75399114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).